LMST03020039
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.2732    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    7.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805    8.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805    9.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419    9.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419   10.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805   11.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2732    7.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805   12.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419   12.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   12.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   11.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   11.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   12.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   12.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   13.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0286    8.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031   10.7313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7200   13.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   13.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   14.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   14.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0040   14.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871   13.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5485   14.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4097   13.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710   14.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4097   12.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1344    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710   13.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5485   15.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
  1 32  1  1  0  0  0
 29 33  1  0  0  0  0
 28 34  2  0  0  0  0
M  END
> <LM_ID>
LMST03020039

> <COMMON_NAME>
1alpha,25-dihydroxy-24-oxo-22-oxavitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-1,3,25-trihydroxy-22-oxa-9,10-seco-5,7,10(19)-cholestatrien-24-one

> <FORMULA>
C26H40O5

> <MASS>
432.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-24-oxo-22-oxacholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547299

> <LIPIDBANK_ID>
VVD0041

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020039

$$$$